Description
Heptyl butyrate
≥98%, FG
Synonym(s):
Heptyl butanoate
Linear Formula:
CH3CH2CH2CO2(CH2)6CH3
CAS Number:
5870-93-9
Molecular Weight:
186.29
FEMA Number:
2549
EC Number:
227-526-5
Council of Europe no.:
504
MDL number:
MFCD00048908
PubChem Substance ID:
24901137
Flavis number:
9.166
NACRES:
NA.21
PROPERTIES
InChI key
JPQHLIYIQARLQM-UHFFFAOYSA-N
biological source
synthetic
Quality Level
400
grade
FG
Kosher
Agency
meets purity specifications of JECFA
reg. compliance
EU Regulation 1334/2008 & 178/2002
FDA 21 CFR 117
FDA 21 CFR 172.515
Assay
≥98%
refractive index
n20/D 1.4215 (lit.)
bp
225-226 °C (lit.)
mp
−58 °C (lit.)
density
0.864 g/mL at 25 °C (lit.)
application(s)
flavors and fragrances
Documentation
see Safety & Documentation for available documents
food allergen
no known allergens
Organoleptic
green; fruity; sweet
SMILES string
CCCCCCCOC(=O)CCC
InChI
1S/C11H22O2/c1-3-5-6-7-8-10-13-11(12)9-4-2/h3-10H2,1-2H3
General description
Heptyl butyrate is a flavor ester that occurs naturally in babaco fruit.[1] It is an attractant for Vespula pensylvanica, a species of Yellow Jacket.[2]
Application
Heptyl butyrate can be used as a flavoring ingredient in numerous consumer foods and beverages because of its fruity flavor.[3][4]
SAFETY INFORMATION
Storage Class Code
10 - Combustible liquids
WGK
WGK 2
Flash Point(F)
195.8 °F - closed cup
Flash Point(C)
91 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves